Crystallography Open Database

Information card for entry 4133271

Preview

Coordinates	4133271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C352 H354 Ag45.98 Cl4 O6 P8 S26
Calculated formula	C352 H354 Ag45.978 Cl4 O6 P8 S26
Title of publication	A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.
Authors of publication	Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	46
Pages of publication	15582 - 15585
a	22.9163 ± 0.0008 Å
b	23.0825 ± 0.0008 Å
c	23.4244 ± 0.0008 Å
α	112.218 ± 0.002°
β	97.802 ± 0.002°
γ	116.569 ± 0.002°
Cell volume	9538.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2665
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243103 (current)	2019-11-26	cif/ Adding structures of 4133271 via cif-deposit CGI script.	4133271.cif